SCHEMBL26870568

SCHEMBL26870568

CC1(C)c2cc(Cl)ccc2-c2c(-c3ccc(-c4ccccc4)cc3)cccc21

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PGR P06401 6/20 0.41
PDK2 Q15119 6/20 0.40
CYP1A2 P05177 1/20 0.39
AKR1A1 P14550 1/20 0.39
AKR1B1 P15121 1/20 0.39
SLC6A3 Q01959 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21102293 1.00 PGR (0.41) PGRPDK2CYP1A2AKR1A1AKR1B1
SCHEMBL21102429 0.97 PDK2 (0.41) PGRPDK2AKR1A1AKR1B1SLC6A3
SCHEMBL30595114 0.97 PDK2 (0.41) PGRPDK2AKR1A1AKR1B1SLC6A3
SCHEMBL20799794 0.90 PDK2 (0.41) PGRPDK2AKR1A1AKR1B1SLC6A3
SCHEMBL21103216 0.88 PGR (0.43) PGRPDK2CYP1A2KDM4EALDH1A1
SCHEMBL25000977 0.87 PDK2 (0.38) PGRPDK2AKR1A1AKR1B1SLC6A3
SCHEMBL24279350 0.87 PGR (0.41) PGRPDK2AKR1A1AKR1B1SLC6A3
SCHEMBL24279351 0.86 PGR (0.40) PGRPDK2AKR1A1AKR1B1
SCHEMBL26602840 0.85 PGR (0.42) PGRPDK2AKR1A1AKR1B1SLC6A3
SCHEMBL21102292 0.85 PGR (0.38) PGRPDK2CYP1A2KDM4EALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230389416-A1 AMINE-CONTAINING COMPOUND, LIGHT-EMITTING DEVICE INCLUDING THE SAME, ELECTRONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE, AND ELECTRONIC DEVICE INCLUDING THE ELECTRONIC APPARATUS SAMSUNG DISPLAY CO., LTD. (KR) 2023-11-30 US disclosed
US-20230389416-A1 AMINE-CONTAINING COMPOUND, LIGHT-EMITTING DEVICE INCLUDING THE SAME, ELECTRONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE, AND ELECTRONIC DEVICE INCLUDING THE ELECTRONIC APPARATUS SAMSUNG DISPLAY CO., LTD. (KR) 2023-11-30 US disclosed